1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene
TL;DR: 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene (CAS 714239-80-2) is a chemical compound with molecular formula C15H10ClNO3 and molecular weight 287.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-4-nitro-2-(3-phenoxyprop-1-ynyl)benzene
Also Known As: 1-chloro-4-nitro-2-(3-phenoxyprop-1-ynyl)benzene, 1-chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene
| Molecular Formula | C15H10ClNO3 |
|---|---|
| Molecular Weight | 287.03 g/mol |
| LogP | 3.6787 |
| Topological Polar Surface Area | 52.37 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 287.0349 |
| Heavy Atoms | 20 |
| Complexity | 674.50824 |
Chemical Identifiers
| CAS Number | 714239-80-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)OCC#CC2=C(C=CC(=C2)[N+](=O)[O-])Cl |
Product Overview
1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene (CAS 714239-80-2), with molecular formula C15H10ClNO3 and molecular weight 287.03 g/mol. IUPAC: 1-chloro-4-nitro-2-(3-phenoxyprop-1-ynyl)benzene.
Chemical Property Profile of 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene
Property Insights of 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene
The XLogP value of 3.6787 indicates that 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.37 Ų, 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene?
The CAS number of 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene is 714239-80-2.
What is the molecular formula of 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene?
The molecular formula of 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene is C15H10ClNO3.
What is the molecular weight of 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene?
The molecular weight of 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene is 287.03 g/mol.
Where can I buy 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene?
You can request a quote for 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-4-nitro-2-(3-phenoxyprop-1-yn-1-yl)benzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.